SCHEMBL22729427

SCHEMBL22729427

COc1ccc(Cn2cc(C)n3ncc(C(=O)N4CCC(Oc5ccc(Cl)cc5)CC4)c3c2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 6/20 0.44
▸ MCHR1 Q99705 6/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MAPT P10636 2/20 0.41
▸ PRKAA2 P54646 2/20 0.40
▸ PRKAB2 O43741 1/20 0.40
▸ PRKAG1 P54619 1/20 0.40
▸ PRKAA1 Q13131 1/20 0.40
▸ PRKAG3 Q9UGI9 1/20 0.40
▸ PRKAG2 Q9UGJ0 1/20 0.40
▸ PRKAB1 Q9Y478 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MGLL Q99685 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22729794 0.93 MAPT (0.45) KCNH2MCHR1TP53MAPTKDM4E
SCHEMBL22729594 0.86 SPR (0.38) KCNH2MCHR1TP53KDM4EALDH1A1
SCHEMBL22729461 0.86 KCNH2 (0.41) KCNH2MCHR1TP53PRKAA2PRKAB2
SCHEMBL29839340 0.80 CACNB4 (0.45) TP53MAPTMGLLALDH1A1LMNA
SCHEMBL22729645 0.80 CACNB4 (0.45) TP53MAPTMGLLALDH1A1LMNA
SCHEMBL22729599 0.78 MAPT (0.39) MAPTMGLLALDH1A1SMN1; SMN2LMNA
SCHEMBL29839304 0.78 MAPT (0.39) MAPTMGLLALDH1A1SMN1; SMN2LMNA
SCHEMBL22729785 0.78 CHRM1 (0.51) MCHR1MAPTPOLBKDM4EALDH1A1
SCHEMBL1806948 0.77 MAPT (0.53) MCHR1TP53MAPTMGLLALDH1A1
SCHEMBL22729571 0.75 CNR1 (0.41) PRKAA2MGLL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11459325-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-10-04 — — US disclosed
US-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 — — US disclosed
US-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 — — US disclosed
EP-3747885-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-12-09 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210087186-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC KCNH2 2434/4885MCHR1 2356/4885TP53 3839/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC KCNH2 2533/4885MCHR1 2232/4885TP53 3876/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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